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ctest awk correct
[unres.git]
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2020-04-04
Cezary Czaplewski
readpdb & fort.2 from unres
tree
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commitdiff
2020-04-01
Cezary Czaplewski
pdbread & boxshift
tree
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commitdiff
2020-03-30
Cezary Czaplewski
src-HCD-5D with no 5D
tree
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commitdiff
2020-03-30
Cezary Czaplewski
wham cluster newcorr -DFIVEDIAG
tree
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commitdiff
2020-03-28
Cezary Czaplewski
Adam's corrections
tree
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commitdiff
2020-03-27
Cezary Czaplewski
Adam's 5D respa
tree
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commitdiff
2020-03-27
Cezary Czaplewski
ctest dock srun correction
tree
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commitdiff
2020-03-27
Cezary Czaplewski
ctest dock srun
tree
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commitdiff
2020-03-26
Cezary Czaplewski
ctest dock 5D
tree
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commitdiff
2020-03-26
Cezary Czaplewski
update HCD-5D
tree
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commitdiff
2020-03-24
Cezary Czaplewski
5D update
tree
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commitdiff
2020-03-24
Cezary Czaplewski
src-HCD-5D update
tree
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commitdiff
2020-03-24
Cezary Czaplewski
make cp src-HCD-5D
tree
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commitdiff
2020-03-24
Cezary Czaplewski
copy src_MD-M-SAXS-homology src-HCD-5D
tree
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commitdiff
2020-03-22
Cezary Czaplewski
cmake ftn okeanos cray XC40 correction
tree
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commitdiff
2020-03-22
Cezary Czaplewski
cmake ftn okeanos cray XC40
tree
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commitdiff
2020-03-22
Cezary Czaplewski
ctest newcorr dfa dell15
tree
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commitdiff
2020-03-22
Cezary Czaplewski
ctest dfa newcorr dell15
tree
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commitdiff
2020-03-22
Cezary Czaplewski
ctest dfa newcorr
tree
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commitdiff
2020-03-22
Cezary Czaplewski
ctest dfa
tree
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commitdiff
2020-03-22
Cezary Czaplewski
ctest newcorr & dfa
tree
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commitdiff
2020-03-22
Cezary Czaplewski
ctest dfa
tree
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commitdiff
2020-03-20
Cezary Czaplewski
ctest NEWCORR
tree
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commitdiff
2020-03-20
Cezary Czaplewski
ctest cluster uniq output (avoid in dash "Over 10000...
tree
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commitdiff
2020-03-20
Cezary Czaplewski
ctest csa - commented
tree
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commitdiff
2020-03-20
Cezary Czaplewski
ctest dock wham and old source rm
tree
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commitdiff
2020-03-20
Cezary Czaplewski
ctest dock NEWCORR
tree
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commitdiff
2020-03-20
Cezary Czaplewski
cluster debug off
tree
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commitdiff
2020-03-20
Cezary Czaplewski
dock wham diff
tree
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commitdiff
2020-03-19
Cezary Czaplewski
cmake NEWCORR
tree
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commitdiff
2020-03-19
Cezary Czaplewski
rm JESTEM printout
tree
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commitdiff
2020-03-19
Cezary Czaplewski
ctest UNRES_M_MD_microcanonical
tree
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commitdiff
2020-03-19
Cezary Czaplewski
ctest plot UNRES_M_MD_microcanonical
tree
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commitdiff
2020-03-18
Cezary Czaplewski
energy_dec print_compon
tree
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commitdiff
2020-03-17
Cezary Czaplewski
sco format read2sigma wham cluster_wham
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commitdiff
2020-03-16
Cezary Czaplewski
gfortran geomout.F:(.text+0x48df): relocation truncated...
tree
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commitdiff
2020-03-15
Cezary Czaplewski
gfortran geomout.F:(.text+0x48df): relocation truncated...
tree
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commitdiff
2020-03-15
Cezary Czaplewski
isnan logical isnan(potEcomp(0)).gt.0
tree
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commitdiff
2020-03-15
Cezary Czaplewski
ctest csa grep -v GenSide
tree
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commitdiff
2020-03-15
Cezary Czaplewski
ctest csa
tree
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commitdiff
2020-03-15
Cezary Czaplewski
ctest unres
tree
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commitdiff
2020-03-15
Cezary Czaplewski
ctest wham
tree
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commitdiff
2020-03-15
Cezary Czaplewski
ctest wham
tree
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commitdiff
2020-03-14
Cezary Czaplewski
cleaning ln xdrf
tree
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commitdiff
2020-03-14
Cezary Czaplewski
ctest cluster wham dfa
tree
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commitdiff
2020-03-14
Cezary Czaplewski
ctest cluster wham
tree
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commitdiff
2020-03-14
Cezary Czaplewski
ctest xdrf2pdb
tree
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commitdiff
2020-03-14
Cezary Czaplewski
cluster unres
tree
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commitdiff
2020-03-14
Cezary Czaplewski
cleaning and csa update
tree
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commitdiff
2016-03-10
Pawel Krupa
Calculation of folded fractions (at given RMSD cutoff...
tree
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commitdiff
2015-10-26
Pawel Krupa
Optimization of the solution for the disulfide problem.
tree
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commitdiff
2015-10-21
Adam Sieradzan
trial for X-Cys-Cys-X sequences
tree
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commitdiff
2015-10-21
Adam Sieradzan
wham debug off and bug fix for dtriss =0
tree
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commitdiff
2015-10-21
Adam Sieradzan
wham debug on
tree
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commitdiff
2015-09-22
Adam Sieradzan
debug in respa
tree
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commitdiff
2015-09-03
Adam Sieradzan
bug fix in WHAM for disulfides
tree
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commitdiff
2015-08-03
Adam Sieradzan
1) debug of Lorentzian like constrains in cluster 2...
tree
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commitdiff
2015-08-02
Adam Sieradzan
first introduction of valence constrains - not working yet
tree
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commitdiff
2015-07-31
Adam Sieradzan
introduction of different ftors for each site
tree
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commitdiff
2015-07-28
Adam Sieradzan
Intoduction Lorentizan like restrains to cluster
tree
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commitdiff
2015-07-21
Adam Sieradzan
WHAM for Lorentzian like constrains fixed - DEBUG OFF
tree
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commitdiff
2015-07-20
Adam Sieradzan
debuging WHAM for constrains DEBUG ON
tree
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commitdiff
2015-07-10
Adam Sieradzan
introduction of quartic an Lonrentz constrains to WHAM
tree
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commitdiff
2015-07-06
Adam Sieradzan
intoduction of quartic restrains in multichain, bugfix...
tree
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commitdiff
2015-07-03
Adam Sieradzan
WeFold Lorentzian like potentials introduction
tree
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commitdiff
2015-06-24
Dawid Jagiela
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2015-06-24
Dawid Jagiela
removed uninitialized ghalf from equation
tree
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commitdiff
2015-05-27
Adam Sieradzan
working cluster for dyn_ss and triss
tree
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commitdiff
2015-05-26
Adam Sieradzan
Debug cluster part 2
tree
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commitdiff
2015-05-26
Adam Sieradzan
Cluster debug ON
tree
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commitdiff
2015-05-26
Adam Sieradzan
havebond turnoff
tree
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commitdiff
2015-05-26
Adam Sieradzan
correction of readrtns
tree
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commitdiff
2015-05-26
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2015-05-26
Adam Sieradzan
energy_dec to logical
tree
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commitdiff
2015-05-26
Dawid Jagiela
removed obsolite code in ssMD.F files
tree
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commitdiff
2015-05-26
Adam Sieradzan
Introduction of dyn_ss and triss to cluster
tree
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commitdiff
2015-05-25
Adam Sieradzan
hidden part of debug
tree
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commitdiff
2015-05-25
Adam Sieradzan
nss*ebr removed
tree
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commitdiff
2015-05-25
Adam Sieradzan
cxread debug 7
tree
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commitdiff
2015-05-25
Adam Sieradzan
debug part 6
tree
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commitdiff
2015-05-25
Adam Sieradzan
Debug 5
tree
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commitdiff
2015-05-25
Adam Sieradzan
another DEBUG
tree
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commitdiff
2015-05-25
Adam Sieradzan
dubug dss part 3
tree
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commitdiff
2015-05-25
Adam Sieradzan
diffrent name for evdw
tree
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commitdiff
2015-05-25
Adam Sieradzan
TRISS debug
tree
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commitdiff
2015-05-25
Adam Sieradzan
Warnig Debug ON
tree
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commitdiff
2015-05-24
Adam Sieradzan
Corrected WHAM and UNRES reading in SS dyn...
tree
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commitdiff
2015-05-23
Adam Sieradzan
Introduction of working dyn_ss and triss. Problems...
tree
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commitdiff
2015-05-23
Adam Sieradzan
Correction in readrtns
tree
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commitdiff
2015-05-23
Adam Sieradzan
Change in line of dyn_ss
tree
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commitdiff
2015-05-22
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2015-05-22
Adam Sieradzan
Adding dyn_ss and triss potentials to src-M wham
tree
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commitdiff
2015-05-22
Pawel Krupa
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2015-05-22
Pawel Krupa
Fixed bug in reading trisulfide potentials (atriss...
tree
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commitdiff
2015-05-06
Dawid Jagiela
fixed install binary paths
tree
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commitdiff
2015-04-21
Pawel Krupa
MPICH2 and energy fixes in WHAM-M and Cluster-M.
tree
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commitdiff
2015-04-17
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2015-04-17
Pawel Krupa
Fixed error caused by new MPICH2, which made WHAM-M...
tree
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commitdiff
2015-04-17
Adam Sieradzan
poprawka w COMMON.SBRIDE dla triss
tree
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commitdiff
2015-04-16
Pawel Krupa
Fixed energy differs in WHAM-M (EBE).
tree
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commitdiff
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